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Fumalic acid

CAT: 0607-N1878-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-N1878-50Size:50 mg
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CAS Number
1135-24-6
Product Name Alternative
(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
Sequence
Coniferic acid
Field of Research
Natural Products
Purity
0.999
Solubility
insoluble in H2O; ≥5.31 mg/mL in EtOH; ≥9.45 mg/mL in DMSO
Smiles
COC1=C(C=CC(=C1)C=CC(=O)O)O
Molecular Formula
C10H10O4
Molecular Weight
194.18
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Ferulic Acid

Ferulic acid is a member of the class of ferulic acids that is cinnamic acid substituted by a methoxy and a hydroxy group at positions 3 and 4 of the phenyl ring. It has a role as an antioxidant, a neuroprotective agent and a plant metabolite.

CAS Number1135-24-6
PubChem CID445858
IUPAC Name(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
Molecular FormulaC10H10O4
Molecular Weight194.18
XLogP1.5
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity224
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)O)O
InChI
InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
InChIKey
KSEBMYQBYZTDHS-HWKANZROSA-N
Chemical Structure
2D Structure
2D structure of Ferulic Acid
CAS: 1135-24-6
CID: 445858
Formula: C10H10O4
MW: 194.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight194.18
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass194.05790880
Monoisotopic Mass194.05790880
Topological Polar Surface Area66.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity224
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TB0050Fumalic acid
A10411-100Fumalic acid 100mg
MBS384708-01Fumalic acid (Ferulic acid)
A10411-5000Fumalic acid (Ferulic acid) 5g
A10411-1000Fumalic acid (Ferulic acid) 1g
A10411-50Fumalic acid (Ferulic acid) 50mg
A10411-10mM-DFumalic acid (Ferulic acid) 10mM * 1mL in DMSO
OR1071368-01Acid-apeg6-acid
MBS6083807-01Medronic Acid (Methylenebiphosphonic Acid, Methylenediphosphonic Acid, Methanebisphosphonic Acid, Methanediphosphonic Acid, MDP)
L2500-01Lipoic Acid (Thioctic Acid, (±) -α-Lipoic Acid)

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